| 1 |
Path Integral Simulation of the H/D Kinetic Isotope Effect in Monoamine Oxidase B Catalyzed Decomposition of Dopamine
Mavri J, Matute RA, Chu ZT, Vianello R
Journal of Physical Chemistry B, 120(14), 3488, 2016 |
| 2 |
Simulating the Catalytic Effect of a Designed Mononuclear Zinc Metalloenzyme that Catalyzes the Hydrolysis of Phosphate Triesters
Singh MK, Chu ZT, Warshel A
Journal of Physical Chemistry B, 118(42), 12146, 2014 |
| 3 |
Quantifying the Mechanism of Phosphate Monoester Hydrolysis in Aqueous Solution by Evaluating the Relevant Ab Initio QM/MM Free-Energy Surfaces
Plotnikoy NV, Prasad BR, Chakrabarty S, Chu ZT, Warshel A
Journal of Physical Chemistry B, 117(42), 12807, 2013 |
| 4 |
Accelerating QM/MM free energy calculations: Representing the surroundings by an updated mean charge distribution
Rosta E, Haranczyk M, Chu ZT, Warshel A
Journal of Physical Chemistry B, 112(18), 5680, 2008 |
| 5 |
Realistic simulations of proton transport along the gramicidin channel: Demonstrating the importance of solvation effects
Braun-Sand S, Burykin A, Chu ZT, Warshel A
Journal of Physical Chemistry B, 109(1), 583, 2005 |
| 6 |
Nature of the surface crossing process in bacteriorhodopsin: Computer simulations of the quantum dynamics of the primary photochemical event
Warshel A, Chu ZT
Journal of Physical Chemistry B, 105(40), 9857, 2001 |
| 7 |
Calculations of activation entropies of chemical reactions in solution
Strajbl M, Sham YY, Villa J, Chu ZT, Warshel A
Journal of Physical Chemistry B, 104(18), 4578, 2000 |
| 8 |
The Reorganization Energy of Cytochrome-C Revisited
Muegge I, Qi PX, Wand AJ, Chu ZT, Warshel A
Journal of Physical Chemistry B, 101(5), 825, 1997 |
| 9 |
Consistent Calculations of Pk(A)S of Ionizable Residues in Proteins - Semimicroscopic and Microscopic Approaches
Sham YY, Chu ZT, Warshel A
Journal of Physical Chemistry B, 101(22), 4458, 1997 |
| 10 |
Orientation of the Oh Dipole of Tyrosine (M)210 and Its Effect on Electrostatic Energies in Photosynthetic Bacterial Reaction Centers
Alden RG, Parson WW, Chu ZT, Warshel A
Journal of Physical Chemistry, 100(41), 16761, 1996 |
